Geometry & MOs

Info

ID:	255996
PubChem CID:	103136181
Reduced:	SN2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	256.078268
ΔH_f, kcal/mol:	47.87
Dipole, Da:	3.62
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(4-methylthiadiazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CSCC(C1=CC=CC2=C1C=NC=C2)N

DOS

IR

Vibrations